Abstract

AbstractThe recent many‐body expanded full configuration interaction (MBE‐FCI) method is reviewed by critically assessing its advantages and drawbacks in the context of contemporary near‐exact electronic structure theory. Besides providing a succinct summary of the history of MBE‐FCI to date within a generalized and unified theoretical setting, its finer algorithmic details are discussed alongside our optimized computational implementation of the theory. A selected few of the most recent applications of MBE‐FCI are revisited, before we close by outlining its future research directions as well as its place among modern near‐exact wave function‐based methods.This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods

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